General Information of the Compound
| Compound ID |
CP0717380
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| Compound Name |
3'-chloro-4'-fluoro-biphenyl-4-sulfonic acid (3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-amide
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| Structure |
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| Formula |
C23H22ClFN2O2S
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| Molecular Weight |
444.959
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| Canonical SMILES |
CN1CCc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)c(Cl)c4)cc3)cc2CC1
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| InChI |
InChI=1S/C23H22ClFN2O2S/c1-27-12-10-17-2-6-20(14-19(17)11-13-27)26-30(28,29)21-7-3-16(4-8-21)18-5-9-23(25)22(24)15-18/h2-9,14-15,26H,10-13H2,1H3
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| InChIKey |
JYXPVNIIIHSWLZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor